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IBS-ZINC05482828

 MMsINC code: MMs01952346
Type: Neutral
Formula: C19H16F3NO4
SMILES:   FC(F)(F)c1noc(c1-c1ccc(OC)cc1)-c1ccc(OCC)cc1O
InChI:   InChI=1/C19H16F3NO4/c1-3-26-13-8-9-14(15(24)10-13)17-16(18(23-27-17)19(20,21)22)11-4-6-12(25-2)7-5-11/h4-10,24H,3H2,1-2H3

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Potential Energy
Epot(MMFF94)=133.798 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.334 g/mol  logS: -6.12828  SlogP: 5.4518  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0629317  Sterimol/B1: 3.49582  Sterimol/B2: 3.6238  Sterimol/B3: 6.27193
  Sterimol/B4: 7.01373  Sterimol/L: 14.8768 
 
 Surface and Volume Properties
  Accessible surface: 594.839  Positive charged surface: 345.372  Negative charged surface: 249.466  Volume: 323.125
  Hydrophobic surface: 394.376  Hydrophilic surface: 200.463
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.